N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide

C24H29N5O3 — CID 175121902

IUPACN-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(-c3cccnc3C3CNCCO3)c[nH]c2c1)C1CNCCO1
InChIInChI=1S/C24H29N5O3/c1-15(21-13-25-7-9-31-21)29-24(30)16-4-5-17-19(12-28-20(17)11-16)18-3-2-6-27-23(18)22-14-26-8-10-32-22/h2-6,11-12,15,21-22,25-26,28H,7-10,13-14H2,1H3,(H,29,30)
InChIKeyYGPSNGAPPGACCV-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.00
Rot. Bonds5

About N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide

N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide (PubChem CID 175121902) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide
PubChem CID175121902
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(-c3cccnc3C3CNCCO3)c[nH]c2c1)C1CNCCO1
InChIInChI=1S/C24H29N5O3/c1-15(21-13-25-7-9-31-21)29-24(30)16-4-5-17-19(12-28-20(17)11-16)18-3-2-6-27-23(18)22-14-26-8-10-32-22/h2-6,11-12,15,21-22,25-26,28H,7-10,13-14H2,1H3,(H,29,30)
InChIKeyYGPSNGAPPGACCV-UHFFFAOYSA-N
XLogP2.00
TPSA100.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide (CID 175121902) is N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide is CC(NC(=O)c1ccc2c(-c3cccnc3C3CNCCO3)c[nH]c2c1)C1CNCCO1.
What is the InChIKey of N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?
The InChIKey is YGPSNGAPPGACCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15(21-13-25-7-9-31-21)29-24(30)16-4-5-17-19(12-28-20(17)11-16)18-3-2-6-27-23(18)22-14-26-8-10-32-22/h2-6,11-12,15,21-22,25-26,28H,7-10,13-14H2,1H3,(H,29,30).
What are the key properties of N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?
N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-2-ylethyl)-3-(2-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 175121902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).